N-[2-(2-acetamidoethyldisulfanyl)ethyl]acetamide

C8H16N2O2S2 — CID 12526

IUPACN-[2-(2-acetamidoethyldisulfanyl)ethyl]acetamide
SMILESCC(=O)NCCSSCCNC(C)=O
InChIInChI=1S/C8H16N2O2S2/c1-7(11)9-3-5-13-14-6-4-10-8(2)12/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyKIBCSYBEMXURBL-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.64
Rot. Bonds7

About N-[2-(2-acetamidoethyldisulfanyl)ethyl]acetamide

N-[2-(2-acetamidoethyldisulfanyl)ethyl]acetamide (PubChem CID 12526) has the molecular formula C8H16N2O2S2 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[2-(2-acetamidoethyldisulfanyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-acetamidoethyldisulfanyl)ethyl]acetamide
PubChem CID12526
Molecular FormulaC8H16N2O2S2
Molecular Weight236.36 g/mol
Exact Mass236.07
IUPAC NameN-[2-(2-acetamidoethyldisulfanyl)ethyl]acetamide
SMILESCC(=O)NCCSSCCNC(C)=O
InChIInChI=1S/C8H16N2O2S2/c1-7(11)9-3-5-13-14-6-4-10-8(2)12/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyKIBCSYBEMXURBL-UHFFFAOYSA-N
XLogP0.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

Acetylcysteamine
CID 14484
Ethylene bis mercaptoacetamide
CID 368250
3,3'-Dithiobis[N-methylpropanamide]
CID 70464
N-(2-(3-(2-(Acetylamino)ethyl)trisulfanyl)ethyl)acetamide
CID 334898
N-{2-[(2-Acetamidoethyl)sulfanyl]ethyl}acetamide
CID 2053712
N,N-bis(alpha-iodoacetyl)-2,2'-dithiobis(ethylamine)
CID 133413
N-(2-((2-Aminoethyl)disulfanyl)ethyl)acetamide
CID 18381305
N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide
CID 21822479
N-(2-((2-aminoethyl)disulfanyl)ethyl)acetamide dihydrochloride
CID 145913636
2-Sulfanyl-1-[7-(2-sulfanylacetyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanone
CID 45272165
N,N'-Ethylenebis(2-mercaptopropionamide)
CID 522321
Diacetylcystamin
CID 19814954

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-acetamidoethyldisulfanyl)ethyl]acetamide?
The IUPAC name of N-[2-(2-acetamidoethyldisulfanyl)ethyl]acetamide (CID 12526) is N-[2-(2-acetamidoethyldisulfanyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-acetamidoethyldisulfanyl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-acetamidoethyldisulfanyl)ethyl]acetamide is CC(=O)NCCSSCCNC(C)=O.
What is the InChIKey of N-[2-(2-acetamidoethyldisulfanyl)ethyl]acetamide?
The InChIKey is KIBCSYBEMXURBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S2/c1-7(11)9-3-5-13-14-6-4-10-8(2)12/h3-6H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of N-[2-(2-acetamidoethyldisulfanyl)ethyl]acetamide?
N-[2-(2-acetamidoethyldisulfanyl)ethyl]acetamide has a molecular weight of 236.36 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-acetamidoethyldisulfanyl)ethyl]acetamide is sourced from PubChem (CID 12526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).